UCSF

ZINC34767221

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.29 -0.07 -52.76 5 3 1 60 213.276 6
Mid Mid (pH 6-8) 0.29 0.9 -140.5 6 3 2 64 214.284 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )